# generated using pymatgen
data_Ti3Te3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42076523
_cell_length_b   10.42076540
_cell_length_c   3.71871241
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Te3Se
_chemical_formula_sum   'Ti6 Te6 Se2'
_cell_volume   349.72160057
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.49841349  0.63949303  0.75000000  1.0
  Ti  Ti1  1  0.85892146  0.49841349  0.25000000  1.0
  Ti  Ti2  1  0.63949303  0.14107854  0.25000000  1.0
  Ti  Ti3  1  0.36050697  0.85892146  0.75000000  1.0
  Ti  Ti4  1  0.14107854  0.50158651  0.75000000  1.0
  Ti  Ti5  1  0.50158651  0.36050697  0.25000000  1.0
  Te  Te6  1  0.65741264  0.95523274  0.75000000  1.0
  Te  Te7  1  0.70217889  0.65741264  0.25000000  1.0
  Te  Te8  1  0.95523274  0.29782111  0.25000000  1.0
  Te  Te9  1  0.04476726  0.70217889  0.75000000  1.0
  Te  Te10  1  0.29782111  0.34258736  0.75000000  1.0
  Te  Te11  1  0.34258736  0.04476726  0.25000000  1.0
  Se  Se12  1  0.33333300  0.66666700  0.25000000  1.0
  Se  Se13  1  0.66666700  0.33333300  0.75000000  1.0